HMDB0109614 RDKit 3D TG(i-19:0/10:0/a-15:0)[rac] 143142 0 0 0 0 0 0 0 0999 V2000 -1.8417 -4.4908 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0096 -4.7170 0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2175 -3.4097 0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -3.6669 2.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -2.5032 3.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4137 -1.6227 3.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4565 -0.9434 2.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 -1.7570 2.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -0.8586 1.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 -1.7104 0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3134 -1.1349 -0.1708 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4402 -3.0729 0.5991 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2394 -4.0023 -0.0070 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0095 -5.0012 0.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 -4.4029 1.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8035 -3.5181 2.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6611 -3.2029 2.9135 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0440 -2.9638 3.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8036 -1.6816 3.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8791 -1.8094 5.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5992 -0.4618 5.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9562 0.4878 4.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 1.8632 5.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9784 2.6511 4.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6358 4.0566 4.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9348 4.6583 3.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7722 4.6323 2.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 5.2499 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7915 5.2066 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9939 5.8105 -1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7827 5.7520 -2.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1824 6.3215 -3.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9005 5.7706 -4.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2916 5.8870 -3.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 4.3117 -4.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4878 -4.6380 -1.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3273 -3.5657 -2.1003 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6802 -3.5289 -3.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1127 -4.5427 -3.7069 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6922 -2.2687 -4.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8905 -2.2206 -5.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 -2.3348 -5.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1266 -1.1712 -4.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -1.2902 -4.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2344 -0.1568 -3.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7228 -0.1891 -3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3195 -1.4095 -2.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8973 -1.6323 -1.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2859 -0.5184 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7759 -0.2930 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5050 -1.5017 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9963 0.8606 0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3221 2.1067 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8493 -4.0662 -1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5839 -3.7258 -1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9748 -5.4058 -1.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1004 -5.2297 0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8851 -5.3917 0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6308 -2.5712 0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -3.1060 0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5568 -4.3798 2.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2973 -4.3375 2.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4207 -1.8928 2.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9247 -2.9233 4.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9098 -0.7883 4.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8206 -2.1478 4.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9598 -0.3295 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1129 -0.1428 3.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3503 -2.6245 1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2459 -2.1620 2.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9192 -0.1079 1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8496 -0.3633 0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0687 -3.4142 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4698 -5.6977 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3394 -5.6326 1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4039 -3.7871 3.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8151 -2.8366 2.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4715 -0.9531 3.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7810 -1.2914 4.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -2.3866 5.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9533 -2.3656 4.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9043 -0.6804 6.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5456 -0.1077 6.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6547 0.6731 3.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 0.0975 4.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9595 1.8202 6.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5684 2.3662 5.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0728 2.1276 3.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7737 2.6961 3.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 4.1446 5.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5689 4.6720 4.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 4.0103 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5247 5.6659 3.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7143 5.1715 2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9346 3.5569 1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0702 4.6243 0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6406 6.2651 1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 5.8068 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 4.1871 -0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7231 6.8558 -1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0592 5.2120 -1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8065 6.2293 -2.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9608 4.6526 -2.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9004 6.2796 -4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0232 7.4463 -3.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 6.3123 -5.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2005 6.1867 -4.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5735 4.9195 -3.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1603 6.6961 -2.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 3.9429 -5.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3387 3.7622 -3.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8139 4.1851 -5.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5254 -5.0277 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1855 -5.3870 -1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 -1.3881 -3.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7746 -2.1300 -4.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -1.2888 -5.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2441 -3.0588 -5.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0469 -2.1988 -6.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -3.3025 -4.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7498 -1.2903 -3.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7795 -0.2092 -4.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 -2.2582 -3.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0587 -1.2563 -5.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9628 0.7802 -4.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7768 -0.0462 -2.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2095 -0.0332 -4.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0239 0.7003 -2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4088 -1.3541 -2.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9505 -2.2887 -3.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -1.6700 -1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2825 -2.6167 -1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9174 -0.7716 0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7469 0.3825 -0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2343 -0.0258 -1.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0983 -2.4609 -0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5792 -1.4433 -0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5592 -1.4795 1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0761 1.0736 0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5992 0.5897 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9234 2.9775 0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2875 1.9749 -0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3058 2.2323 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 13 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 13 73 1 6 14 74 1 0 14 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 23 86 1 0 23 87 1 0 24 88 1 0 24 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 34107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 51136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 53143 1 0 M END